CID 170579

2-bromo-4,6-dimethylaniline

Structural Information

Molecular Formula
C8H10BrN
SMILES
CC1=CC(=C(C(=C1)Br)N)C
InChI
InChI=1S/C8H10BrN/c1-5-3-6(2)8(10)7(9)4-5/h3-4H,10H2,1-2H3
InChIKey
YOSJCQJJIHEUKA-UHFFFAOYSA-N
Compound name
2-bromo-4,6-dimethylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

231
Patents

198.99966 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.00694 133.9
[M+Na]+ 221.98888 138.0
[M+NH4]+ 217.03348 139.7
[M+K]+ 237.96282 137.5
[M-H]- 197.99238 135.8
[M+Na-2H]- 219.97433 138.1
[M]+ 198.99911 133.9
[M]- 199.00021 133.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe